SCHEMBL6967167

SCHEMBL6967167

Cc1ccn(CCC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GFER P55789 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS1 P29475 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23985340 0.82 DRD2 (0.39) DRD2HTR2AHRH1THRBGAA
SCHEMBL18994366 0.80 GLS (0.35) DRD2HTR2AHRH1SLC6A4LMNA
SCHEMBL12165181 0.79 GAA (0.38) DRD2HTR2AHRH1THRBGAA
SCHEMBL21325428 0.78 SLC6A2 (0.36) KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL293669 0.77
SCHEMBL25679936 0.76 DRD2 (0.37) DRD2HTR2AHRH1THRBGAA
SCHEMBL5632040 0.76 POLB (0.39) MAPTHTTNPSR1SMN1; SMN2KDM4E
SCHEMBL18859417 0.76 THRB (0.37) DRD2HTR2AHRH1THRBGAA
SCHEMBL10049904 0.75
SCHEMBL984869 0.75

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
WO-2020081856-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-04-23 WO disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2016-01-07 US disclosed
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2016-01-07 US disclosed
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-11-19 US disclosed
US-8183257-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2012-05-22 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20090124653-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-20090124653-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-7498440-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-7488827-B2 Muscle relaxants; respiratory system disorders; asthma;COPD; emphysema; bronchitis GLAXO GROUP LIMITED (GB) 2009-02-10 US disclosed
US-7488827-B2 Muscle relaxants; respiratory system disorders; asthma;COPD; emphysema; bronchitis GLAXO GROUP LIMITED (GB) 2009-02-10 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 DRD2 546/4885HTR2A 298/4885HRH1 182/4885
US-20090124653-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 DRD2 546/4885HTR2A 298/4885HRH1 182/4885
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 DRD2 505/4885HTR2A 269/4885HRH1 175/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E DRD2 1296/4885HTR2A 739/4885HRH1 976/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 DRD2 873/4885HTR2A 692/4885HRH1 708/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 DRD2 1383/4885HTR2A 590/4885HRH1 1350/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 DRD2 873/4885HTR2A 692/4885HRH1 708/4885
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 DRD2 1383/4885HTR2A 590/4885HRH1 1350/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 DRD2 546/4885HTR2A 298/4885HRH1 182/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.